(2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide

C18H18F2N2O — CID 130277360

IUPAC(2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide
SMILESC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O/c1-10(13-7-6-12(19)9-15(13)20)18(23)22-16-8-11-4-2-3-5-14(11)17(16)21/h2-7,9-10,16-17H,8,21H2,1H3,(H,22,23)/t10-,16+,17+/m0/s1
InChIKeySRDCXFUHFWXLMY-LZVXQISVSA-N
MW316.35 g/mol
LogP2.81
Rot. Bonds3

About (2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide

(2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide (PubChem CID 130277360) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is (2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide
PubChem CID130277360
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name(2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide
SMILESC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O/c1-10(13-7-6-12(19)9-15(13)20)18(23)22-16-8-11-4-2-3-5-14(11)17(16)21/h2-7,9-10,16-17H,8,21H2,1H3,(H,22,23)/t10-,16+,17+/m0/s1
InChIKeySRDCXFUHFWXLMY-LZVXQISVSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide?
The IUPAC name of (2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide (CID 130277360) is (2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for (2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide?
The canonical SMILES for (2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide is C[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1N)c1ccc(F)cc1F.
What is the InChIKey of (2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide?
The InChIKey is SRDCXFUHFWXLMY-LZVXQISVSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-10(13-7-6-12(19)9-15(13)20)18(23)22-16-8-11-4-2-3-5-14(11)17(16)21/h2-7,9-10,16-17H,8,21H2,1H3,(H,22,23)/t10-,16+,17+/m0/s1.
What are the key properties of (2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide?
(2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide has a molecular weight of 316.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 130277360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).